#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gtz s SER 3 N 0.00 6.39 0.43 6.15 1.04 -1.26 -4.77 113.70 121.68 1gtz s SER 3 Ca 0.00 0.97 0.18 0.00 0.48 0.00 0.00 55.95 57.58 1gtz s SER 3 Cb 0.00 -2.26 0.98 0.00 0.10 0.00 0.00 66.02 64.85 1gtz s SER 3 CO 0.00 -0.45 1.91 -0.07 0.98 0.00 0.00 173.24 175.61 1gtz h LEU 4 N 0.83 0.00 -0.93 2.42 4.07 -1.89 -2.07 115.31 117.74 1gtz h LEU 4 Ca -0.47 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.39 1gtz h LEU 4 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1gtz h LEU 4 CO 0.63 0.26 -0.32 0.00 -1.08 0.00 0.00 178.44 177.93 1gtz h ALA 5 N 1.74 1.10 0.00 1.53 0.00 -1.91 -3.24 119.26 118.47 1gtz h ALA 5 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1gtz h ALA 5 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1gtz h ALA 5 CO 0.03 0.57 -0.79 -0.91 0.00 0.00 0.00 179.25 178.15 1gtz h ASN 6 N 0.34 0.00 -4.86 0.00 -0.26 -1.77 -3.48 115.58 105.55 1gtz h ASN 6 Ca 0.04 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1gtz h ASN 6 Cb 0.73 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.81 1gtz h ASN 6 CO 0.06 0.03 0.26 0.00 -1.06 0.00 0.00 177.43 176.71 1gtz s ALA 7 N -3.31 -1.76 0.69 -0.83 0.00 -1.10 -5.02 121.76 110.43 1gtz s ALA 7 Ca 0.01 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 1gtz s ALA 7 Cb 0.08 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1gtz s ALA 7 CO 0.76 -0.45 1.08 -1.25 0.00 0.00 0.00 175.76 175.90 1gtz s PRO 8 N -1.75 2.78 -0.04 0.00 0.04 -1.26 -4.17 135.00 130.59 1gtz s PRO 8 Ca -0.07 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.85 1gtz s PRO 8 Cb -0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1gtz s PRO 8 CO 0.04 -1.24 0.91 0.42 0.04 0.00 0.00 177.00 177.17 1gtz s ILE 9 N -2.74 4.90 -0.12 0.56 1.01 -0.02 -1.80 121.20 122.99 1gtz s ILE 9 Ca 0.62 1.89 -0.24 0.00 0.00 0.00 0.00 60.65 62.92 1gtz s ILE 9 Cb -0.17 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1gtz s ILE 9 CO 0.49 0.15 0.74 -0.32 0.00 0.00 0.00 174.94 176.00 1gtz s MET 10 N 1.19 4.36 -0.31 2.79 -2.45 -0.41 -0.99 119.30 123.48 1gtz s MET 10 Ca 0.47 0.90 -0.03 0.00 -1.25 0.00 0.00 55.69 55.79 1gtz s MET 10 Cb -0.20 -3.51 0.05 0.00 1.25 0.00 0.00 34.83 32.42 1gtz s MET 10 CO 0.23 -0.13 0.02 0.42 1.05 0.00 0.00 175.02 176.62 1gtz s ILE 11 N 1.46 3.15 -0.11 10.11 1.01 -0.28 -1.45 121.20 135.08 1gtz s ILE 11 Ca 0.37 -1.34 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 1gtz s ILE 11 Cb -0.17 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1gtz s ILE 11 CO 0.15 -0.13 -0.10 -0.76 0.00 0.00 0.00 174.94 174.10 1gtz s LEU 12 N 1.28 2.92 -0.09 2.97 1.43 -0.23 -1.14 118.68 125.83 1gtz s LEU 12 Ca -0.04 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1gtz s LEU 12 Cb -0.20 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1gtz s LEU 12 CO -0.00 0.23 -0.19 0.20 0.23 0.00 0.00 176.35 176.81 1gtz s ASN 13 N -0.01 2.58 0.97 2.29 0.01 -0.59 -1.06 114.94 119.12 1gtz s ASN 13 Ca -0.02 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1gtz s ASN 13 Cb -0.14 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1gtz s ASN 13 CO 0.04 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 1gtz n GLY 14 N 3.67 -1.52 3.74 0.66 0.00 0.14 -1.41 105.19 110.46 1gtz n GLY 14 Ca -0.20 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1gtz n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gtz n PRO 15 N -1.12 1.65 0.00 1.61 -0.04 -1.06 -3.23 135.00 132.82 1gtz n PRO 15 Ca 0.00 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1gtz n PRO 15 Cb 0.00 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1gtz n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gtz n ASN 16 N -1.11 0.00 0.11 3.54 3.02 -1.26 -4.57 115.26 114.99 1gtz n ASN 16 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 1gtz n ASN 16 Cb 0.45 -0.29 0.46 0.00 -0.61 0.00 0.00 39.78 39.79 1gtz n ASN 16 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gtz n LEU 17 N 0.00 0.59 -0.15 3.41 4.77 -1.20 -2.17 117.00 122.25 1gtz n LEU 17 Ca 0.00 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 1gtz n LEU 17 Cb 0.00 -0.52 0.44 0.00 -2.33 0.00 0.00 43.42 41.01 1gtz n LEU 17 CO 0.00 -0.43 1.20 -0.55 -1.33 0.00 0.00 177.39 176.28 1gtz h ASN 18 N 0.00 0.50 -0.31 -1.43 -1.07 -1.88 -1.40 115.58 109.98 1gtz h ASN 18 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1gtz h ASN 18 Cb 0.42 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.58 1gtz h ASN 18 CO 0.00 0.30 0.00 0.18 0.07 0.00 0.00 177.43 177.98 1gtz n LEU 19 N -4.49 1.81 -4.72 6.14 4.77 -0.92 -4.79 117.00 114.80 1gtz n LEU 19 Ca 0.12 -0.88 -0.43 0.00 -0.03 0.00 0.00 56.01 54.79 1gtz n LEU 19 Cb 0.36 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1gtz n LEU 19 CO 0.33 0.44 1.25 -0.11 -1.33 0.00 0.00 177.39 177.97 1gtz n LEU 20 N 0.47 3.96 0.00 2.23 7.94 -0.53 -0.89 117.00 130.19 1gtz n LEU 20 Ca 0.12 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1gtz n LEU 20 Cb 0.30 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.70 1gtz n LEU 20 CO 0.09 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 1gtz n GLY 21 N 2.86 2.51 0.07 -3.96 0.00 -1.15 -3.77 105.19 101.75 1gtz n GLY 21 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1gtz n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gtz n GLN 22 N -2.00 1.60 -5.00 1.61 6.02 -0.07 -4.70 117.38 114.83 1gtz n GLN 22 Ca 0.00 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 1gtz n GLN 22 Cb 0.00 -1.37 -0.15 0.00 1.02 0.00 0.00 30.24 29.74 1gtz n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gtz s ALA 23 N -2.37 2.10 -1.29 -1.58 0.00 -0.82 -4.82 121.76 112.98 1gtz s ALA 23 Ca -0.07 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 1gtz s ALA 23 Cb 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1gtz s ALA 23 CO 0.60 0.50 0.54 1.04 0.00 0.00 0.00 175.76 178.44 1gtz n GLN 24 N 2.06 -1.17 0.26 0.00 6.02 -1.26 -4.74 117.38 118.54 1gtz n GLN 24 Ca -0.16 0.23 0.11 0.00 -0.01 0.00 0.00 57.00 57.16 1gtz n GLN 24 Cb 0.52 -3.48 0.68 0.00 1.02 0.00 0.00 30.24 28.98 1gtz n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1gtz h PRO 25 N -2.16 0.00 0.00 -1.09 0.13 -1.88 0.49 132.00 127.49 1gtz h PRO 25 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1gtz h PRO 25 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1gtz h PRO 25 CO 0.56 0.12 0.00 1.05 -0.23 0.00 0.00 178.00 179.50 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.89 -0.44 114.58 122.20 1gtz h GLU 26 Ca -0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 1gtz h GLU 26 Cb 0.28 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.33 1gtz h GLU 26 CO 0.02 0.00 -1.94 -0.89 0.05 0.00 0.00 179.01 176.24 1gtz n ILE 27 N -2.59 0.95 0.19 -1.06 5.41 -0.01 -4.76 119.36 117.49 1gtz n ILE 27 Ca 0.02 -0.36 0.05 0.00 1.00 0.00 0.00 62.75 63.46 1gtz n ILE 27 Cb 0.30 -1.11 0.07 0.00 -0.71 0.00 0.00 39.64 38.20 1gtz n ILE 27 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1gtz n TYR 28 N -3.01 0.15 -0.56 1.39 4.02 -0.20 -4.67 117.16 114.28 1gtz n TYR 28 Ca -0.29 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 1gtz n TYR 28 Cb 0.81 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 1gtz n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gtz n GLY 29 N 0.47 -2.90 0.40 2.72 0.00 -0.18 -4.77 105.19 100.94 1gtz n GLY 29 Ca 0.07 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.36 1gtz n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gtz n SER 30 N -0.27 2.12 -4.77 1.61 7.64 -1.26 -3.94 113.62 114.75 1gtz n SER 30 Ca 0.00 -1.62 -0.39 0.00 1.01 0.00 0.00 58.87 57.87 1gtz n SER 30 Cb 0.00 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 1gtz n SER 30 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1gtz s ASP 31 N -0.83 7.08 0.72 6.43 1.01 -1.26 -4.66 116.67 125.16 1gtz s ASP 31 Ca 0.13 2.16 -0.07 0.00 0.71 0.00 0.00 52.55 55.48 1gtz s ASP 31 Cb 0.08 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.46 1gtz s ASP 31 CO 0.11 -0.27 1.04 0.42 0.21 0.00 0.00 175.17 176.68 1gtz s THR 32 N -1.36 2.23 0.29 -1.27 -4.23 -1.26 -2.94 115.64 107.10 1gtz s THR 32 Ca 0.50 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 1gtz s THR 32 Cb -0.28 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.65 1gtz s THR 32 CO 0.35 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.44 1gtz h LEU 33 N -0.67 0.50 -0.55 4.79 5.85 -1.82 -0.89 115.31 122.52 1gtz h LEU 33 Ca -0.45 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 1gtz h LEU 33 Cb 1.32 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1gtz h LEU 33 CO 0.61 0.71 0.24 0.00 -0.34 0.00 0.00 178.44 179.65 1gtz h ALA 34 N 1.34 0.71 -0.62 1.25 0.00 -1.94 0.16 119.26 120.16 1gtz h ALA 34 Ca 0.08 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1gtz h ALA 34 Cb 0.59 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1gtz h ALA 34 CO 0.04 0.31 0.36 -0.44 0.00 0.00 0.00 179.25 179.52 1gtz h ASP 35 N 0.75 0.57 -0.48 0.00 3.32 -1.78 -1.47 116.42 117.33 1gtz h ASP 35 Ca 0.19 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1gtz h ASP 35 Cb 0.17 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1gtz h ASP 35 CO -0.02 0.39 0.27 0.58 -1.72 0.00 0.00 179.24 178.74 1gtz h VAL 36 N 0.70 1.16 -0.29 -1.35 2.07 -0.11 -2.49 116.25 115.93 1gtz h VAL 36 Ca 0.26 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1gtz h VAL 36 Cb 0.09 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1gtz h VAL 36 CO -0.13 0.17 -0.09 -0.08 0.02 0.00 0.00 177.57 177.45 1gtz h GLU 37 N 0.63 -0.03 -0.55 1.57 4.81 -0.77 -1.23 114.58 119.02 1gtz h GLU 37 Ca 0.17 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1gtz h GLU 37 Cb 0.03 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1gtz h GLU 37 CO -0.03 -0.02 0.36 0.00 -0.73 0.00 0.00 179.01 178.59 1gtz h ALA 38 N 1.24 1.64 -0.76 2.92 0.00 -1.10 -1.39 119.26 121.81 1gtz h ALA 38 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gtz h ALA 38 Cb 0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1gtz h ALA 38 CO -0.31 0.32 0.48 -0.07 0.00 0.00 0.00 179.25 179.67 1gtz h LEU 39 N 0.71 0.90 -0.34 0.00 3.38 -0.95 -2.52 115.31 116.49 1gtz h LEU 39 Ca 0.21 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1gtz h LEU 39 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1gtz h LEU 39 CO -0.05 0.67 -0.02 0.00 0.09 0.00 0.00 178.44 179.13 1gtz h VAL 41 N 0.42 1.10 -0.55 0.00 2.07 -1.18 -0.87 116.25 117.24 1gtz h VAL 41 Ca 0.09 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1gtz h VAL 41 Cb 0.49 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1gtz h VAL 41 CO 0.02 0.10 0.02 0.50 0.02 0.00 0.00 177.57 178.23 1gtz h LYS 42 N 0.45 0.96 -0.77 1.57 3.64 -1.40 -1.73 116.57 119.30 1gtz h LYS 42 Ca 0.12 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1gtz h LYS 42 Cb -0.02 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1gtz h LYS 42 CO -0.02 0.96 0.49 0.00 -2.27 0.00 0.00 179.45 178.60 1gtz h ALA 43 N 0.96 1.02 -0.36 5.00 0.00 -0.77 -2.08 119.26 123.03 1gtz h ALA 43 Ca 0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1gtz h ALA 43 Cb 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1gtz h ALA 43 CO 0.03 0.29 -0.38 0.00 0.00 0.00 0.00 179.25 179.18 1gtz h ALA 44 N 1.33 0.53 -0.69 0.00 0.00 -1.17 -3.15 119.26 116.11 1gtz h ALA 44 Ca 0.31 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1gtz h ALA 44 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1gtz h ALA 44 CO -0.12 0.63 0.46 0.00 0.00 0.00 0.00 179.25 180.22 1gtz h ALA 45 N 0.75 1.91 0.00 0.00 0.00 -0.92 0.15 119.26 121.15 1gtz h ALA 45 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gtz h ALA 45 Cb 0.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1gtz h ALA 45 CO 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1gtz n ALA 46 N -2.49 1.33 -0.14 0.00 0.00 -0.82 -1.00 120.51 117.39 1gtz n ALA 46 Ca 0.11 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1gtz n ALA 46 Cb 0.35 -1.31 0.17 0.00 0.00 0.00 0.00 19.45 18.66 1gtz n ALA 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1gtz n HIS 47 N -2.14 0.50 -0.87 0.00 8.25 0.38 -4.95 115.22 116.39 1gtz n HIS 47 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1gtz n HIS 47 Cb 0.12 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1gtz n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gtz n GLY 48 N 0.72 0.57 3.10 -1.41 0.00 -0.17 -4.91 105.19 103.09 1gtz n GLY 48 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1gtz n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gtz n GLY 49 N -2.85 2.27 3.20 -0.02 0.00 -0.42 -4.53 105.19 102.84 1gtz n GLY 49 Ca 0.00 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 1gtz n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gtz s THR 50 N -2.00 0.07 0.11 2.61 -4.23 -1.26 -2.99 115.64 107.95 1gtz s THR 50 Ca 0.40 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 1gtz s THR 50 Cb -0.03 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1gtz s THR 50 CO 0.25 -0.33 -0.12 0.68 -0.54 0.00 0.00 174.62 174.56 1gtz s VAL 51 N -4.06 1.12 -0.46 2.29 -7.23 -1.26 -0.84 120.40 109.96 1gtz s VAL 51 Ca 0.26 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1gtz s VAL 51 Cb 0.06 -1.43 0.12 0.00 0.56 0.00 0.00 36.38 35.70 1gtz s VAL 51 CO 0.04 -0.49 0.20 -0.62 -0.31 0.00 0.00 175.10 173.92 1gtz s ASP 52 N -2.44 4.27 -0.22 4.85 -1.08 -0.16 -4.84 116.67 117.05 1gtz s ASP 52 Ca 0.07 -2.70 -0.14 0.00 -0.52 0.00 0.00 52.55 49.26 1gtz s ASP 52 Cb -0.04 -1.49 -0.04 0.00 -1.46 0.00 0.00 42.92 39.89 1gtz s ASP 52 CO 0.01 -0.28 0.33 0.12 0.52 0.00 0.00 175.17 175.87 1gtz s PHE 53 N 0.16 3.34 0.05 -5.34 5.36 -1.26 -1.13 117.98 119.17 1gtz s PHE 53 Ca 0.15 0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 1gtz s PHE 53 Cb -0.24 -2.46 -0.03 0.00 -0.34 0.00 0.00 43.02 39.95 1gtz s PHE 53 CO -0.03 -0.02 0.02 1.03 -1.46 0.00 0.00 175.22 174.76 1gtz s ARG 54 N 1.35 0.60 0.01 10.12 0.52 -0.29 -4.99 118.95 126.27 1gtz s ARG 54 Ca 0.15 -1.04 -0.05 0.00 -0.52 0.00 0.00 55.73 54.27 1gtz s ARG 54 Cb -0.15 0.22 -0.00 0.00 0.52 0.00 0.00 34.95 35.54 1gtz s ARG 54 CO 0.07 -0.13 0.09 -1.14 0.02 0.00 0.00 175.30 174.21 1gtz s GLN 55 N -3.41 0.44 -0.11 3.54 -0.44 -1.26 -1.55 119.66 116.87 1gtz s GLN 55 Ca 0.02 -0.47 -0.23 0.00 -2.50 0.00 0.00 55.36 52.19 1gtz s GLN 55 Cb 0.04 0.18 0.05 0.00 -1.64 0.00 0.00 33.01 31.64 1gtz s GLN 55 CO -0.08 -0.10 0.55 0.45 0.50 0.00 0.00 175.29 176.61 1gtz s SER 56 N -1.42 -0.53 0.00 6.67 0.15 -0.50 -4.96 113.70 113.10 1gtz s SER 56 Ca -0.15 0.77 0.26 0.00 0.70 0.00 0.00 55.95 57.54 1gtz s SER 56 Cb -0.08 0.77 0.77 0.00 -1.71 0.00 0.00 66.02 65.76 1gtz s SER 56 CO 0.01 -0.40 1.58 0.59 1.20 0.00 0.00 173.24 176.23 1gtz n ASN 57 N 1.80 0.56 -4.59 5.45 3.02 -1.26 -2.57 115.26 117.67 1gtz n ASN 57 Ca -0.17 -0.37 -0.40 0.00 -0.03 0.00 0.00 54.58 53.61 1gtz n ASN 57 Cb 0.56 0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 1gtz n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 58 N -2.80 3.23 0.20 3.10 3.76 -1.26 -4.75 115.29 116.77 1gtz s HIS 58 Ca 0.17 0.35 -0.10 0.00 -0.15 0.00 0.00 55.06 55.34 1gtz s HIS 58 Cb 0.18 -2.74 0.23 0.00 1.11 0.00 0.00 32.58 31.37 1gtz s HIS 58 CO 0.60 -0.36 1.79 1.49 -0.85 0.00 0.00 174.74 177.40 1gtz h GLU 59 N 8.25 0.55 -0.14 1.40 4.81 -2.00 -2.25 114.58 125.20 1gtz h GLU 59 Ca -0.29 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 1gtz h GLU 59 Cb 1.14 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1gtz h GLU 59 CO 0.71 0.37 -0.30 0.78 -0.73 0.00 0.00 179.01 179.83 1gtz h GLY 60 N 0.57 0.29 0.94 1.92 0.00 -1.99 -1.74 103.07 103.06 1gtz h GLY 60 Ca 0.29 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1gtz h GLY 60 CO -0.21 0.22 -0.03 -2.09 0.00 0.00 0.00 176.54 174.43 1gtz h GLU 61 N 0.24 0.69 -1.00 4.80 4.81 -1.85 -1.57 114.58 120.70 1gtz h GLU 61 Ca 0.03 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1gtz h GLU 61 Cb 0.66 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 1gtz h GLU 61 CO 0.05 0.81 0.66 -0.07 -0.73 0.00 0.00 179.01 179.73 1gtz h LEU 62 N 0.51 1.15 -0.31 1.64 3.38 -1.20 -1.14 115.31 119.33 1gtz h LEU 62 Ca 0.10 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1gtz h LEU 62 Cb 0.52 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1gtz h LEU 62 CO 0.03 0.83 0.11 0.58 0.09 0.00 0.00 178.44 180.08 1gtz h VAL 63 N 1.36 0.92 -0.78 1.22 2.07 -1.23 -0.72 116.25 119.09 1gtz h VAL 63 Ca 0.37 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 1gtz h VAL 63 Cb -0.15 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1gtz h VAL 63 CO -0.08 0.05 0.37 0.44 0.02 0.00 0.00 177.57 178.37 1gtz h ASP 64 N 0.25 1.02 -0.12 0.57 3.32 -0.90 -1.71 116.42 118.85 1gtz h ASP 64 Ca 0.14 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1gtz h ASP 64 Cb 0.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1gtz h ASP 64 CO -0.14 0.87 -0.24 -0.50 -1.72 0.00 0.00 179.24 177.51 1gtz h TRP 65 N 1.10 0.64 -0.67 4.55 6.55 -0.93 -1.37 115.95 125.82 1gtz h TRP 65 Ca 0.27 -0.14 -0.07 0.00 0.95 0.00 0.00 58.89 59.90 1gtz h TRP 65 Cb 0.12 -0.15 -0.03 0.00 -0.86 0.00 0.00 29.16 28.24 1gtz h TRP 65 CO 0.01 0.76 0.14 0.82 -1.05 0.00 0.00 178.44 179.12 1gtz h ILE 66 N 0.50 1.26 -0.77 1.49 2.04 -0.65 -1.82 117.51 119.57 1gtz h ILE 66 Ca 0.07 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1gtz h ILE 66 Cb 0.69 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1gtz h ILE 66 CO 0.05 0.38 0.28 0.45 0.00 0.00 0.00 178.15 179.31 1gtz h HIS 67 N 1.02 1.19 -0.61 1.37 3.86 -0.80 -1.42 115.15 119.75 1gtz h HIS 67 Ca 0.21 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1gtz h HIS 67 Cb 0.40 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1gtz h HIS 67 CO 0.03 0.91 0.39 1.49 0.86 0.00 0.00 177.93 181.61 1gtz h GLU 68 N 1.12 0.82 -0.62 2.45 4.81 -0.90 -2.81 114.58 119.46 1gtz h GLU 68 Ca 0.25 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1gtz h GLU 68 Cb 0.25 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1gtz h GLU 68 CO -0.02 0.56 0.41 0.00 -0.73 0.00 0.00 179.01 179.23 1gtz h ALA 69 N 1.21 1.61 -0.75 2.92 0.00 -0.91 -1.35 119.26 121.99 1gtz h ALA 69 Ca 0.22 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1gtz h ALA 69 Cb -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1gtz h ALA 69 CO -0.05 0.34 0.50 -0.09 0.00 0.00 0.00 179.25 179.95 1gtz h ARG 70 N 0.78 0.80 0.00 0.00 2.43 -1.00 -1.32 114.38 116.08 1gtz h ARG 70 Ca 0.24 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 59.08 1gtz h ARG 70 Cb -0.01 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 1gtz h ARG 70 CO -0.06 0.53 -2.18 1.28 -1.51 0.00 0.00 179.97 178.03 1gtz n LEU 71 N -4.48 0.15 -0.03 3.80 4.77 -0.83 -4.72 117.00 115.66 1gtz n LEU 71 Ca 0.11 0.07 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1gtz n LEU 71 Cb 0.20 0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1gtz n LEU 71 CO 0.34 0.37 0.06 0.59 -1.33 0.00 0.00 177.39 177.42 1gtz n ASN 72 N -2.70 0.42 -4.54 -1.43 3.02 -0.57 -5.09 115.26 104.37 1gtz n ASN 72 Ca -0.24 -0.71 -0.25 0.00 -0.03 0.00 0.00 54.58 53.35 1gtz n ASN 72 Cb 1.02 0.77 -0.10 0.00 -0.61 0.00 0.00 39.78 40.86 1gtz n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 73 N -1.08 2.40 -1.66 3.10 3.76 -0.52 -4.53 115.29 116.77 1gtz s HIS 73 Ca 0.02 -0.43 0.24 0.00 -0.15 0.00 0.00 55.06 54.73 1gtz s HIS 73 Cb 0.03 -1.28 0.21 0.00 1.11 0.00 0.00 32.58 32.65 1gtz s HIS 73 CO 0.11 0.61 1.22 0.00 -0.85 0.00 0.00 174.74 175.83 1gtz n GLY 75 N 1.42 -0.79 2.84 0.00 0.00 -1.26 -4.48 105.19 102.92 1gtz n GLY 75 Ca 0.09 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 1gtz n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gtz s ILE 76 N -2.00 0.27 -0.19 -0.61 1.01 -0.38 -1.28 121.20 118.01 1gtz s ILE 76 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1gtz s ILE 76 Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1gtz s ILE 76 CO 0.00 0.16 0.01 -0.69 0.00 0.00 0.00 174.94 174.43 1gtz s VAL 77 N 0.99 4.20 -0.02 2.92 1.01 -0.53 -0.85 120.40 128.11 1gtz s VAL 77 Ca -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1gtz s VAL 77 Cb -0.14 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1gtz s VAL 77 CO -0.01 0.44 -0.03 -0.51 0.00 0.00 0.00 175.10 174.99 1gtz s ILE 78 N 0.72 0.33 -0.45 2.22 2.07 -0.40 -1.07 121.20 124.63 1gtz s ILE 78 Ca 0.01 -0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.12 1gtz s ILE 78 Cb -0.14 -0.35 0.12 0.00 0.13 0.00 0.00 42.46 42.22 1gtz s ILE 78 CO 0.02 0.14 0.27 0.21 -1.91 0.00 0.00 174.94 173.68 1gtz s ASN 79 N 0.53 5.39 0.00 4.50 3.84 -0.23 -0.99 114.94 127.97 1gtz s ASN 79 Ca -0.06 -2.10 0.22 0.00 0.21 0.00 0.00 52.86 51.13 1gtz s ASN 79 Cb -0.09 -1.88 0.97 0.00 -0.55 0.00 0.00 41.25 39.69 1gtz s ASN 79 CO -0.01 -0.56 1.72 -2.65 -2.79 0.00 0.00 177.10 172.81 1gtz n PRO 80 N 4.54 0.03 0.00 0.43 -0.02 -1.26 -0.69 135.00 138.03 1gtz n PRO 80 Ca -0.02 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1gtz n PRO 80 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1gtz n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gtz n ALA 81 N -1.48 0.00 0.13 3.55 0.00 -1.26 -2.11 120.51 119.34 1gtz n ALA 81 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1gtz n ALA 81 Cb 0.25 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.34 1gtz n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gtz h ALA 82 N -0.56 2.18 0.00 0.00 0.00 -1.93 0.17 119.26 119.12 1gtz h ALA 82 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gtz h ALA 82 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gtz h ALA 82 CO 0.00 -0.24 -0.01 1.88 0.00 0.00 0.00 179.25 180.88 1gtz h TYR 83 N 0.05 0.00 -1.00 0.00 0.99 -1.81 -2.29 116.97 112.90 1gtz h TYR 83 Ca 0.12 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.98 1gtz h TYR 83 Cb 0.41 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 38.05 1gtz h TYR 83 CO -0.00 0.01 0.63 0.77 -0.00 0.00 0.00 178.16 179.57 1gtz h SER 84 N 0.00 0.90 1.80 3.88 0.02 -1.00 0.48 113.55 119.63 1gtz h SER 84 Ca -0.00 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1gtz h SER 84 Cb 0.31 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1gtz h SER 84 CO 0.00 0.46 -0.20 0.45 -1.14 0.00 0.00 176.83 176.39 1gtz h HIS 85 N 0.96 0.00 0.00 3.45 3.86 -1.58 -0.27 115.15 121.56 1gtz h HIS 85 Ca 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 1gtz h HIS 85 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1gtz h HIS 85 CO -0.00 0.15 -0.88 0.25 0.86 0.00 0.00 177.93 178.31 1gtz n THR 86 N -3.12 0.00 -3.20 2.45 -2.24 -1.02 -4.85 114.28 102.30 1gtz n THR 86 Ca 0.03 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.35 1gtz n THR 86 Cb 0.59 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1gtz n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1gtz s SER 87 N -1.83 6.57 0.38 3.42 0.15 0.13 -4.81 113.70 117.71 1gtz s SER 87 Ca 0.00 -2.23 0.07 0.00 0.70 0.00 0.00 55.95 54.49 1gtz s SER 87 Cb 0.00 -2.27 0.76 0.00 -1.71 0.00 0.00 66.02 62.80 1gtz s SER 87 CO 0.00 -0.81 1.95 0.58 1.20 0.00 0.00 173.24 176.16 1gtz h VAL 88 N 5.33 1.16 -0.60 4.45 2.07 -1.94 -2.75 116.25 123.97 1gtz h VAL 88 Ca 0.00 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1gtz h VAL 88 Cb 1.05 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1gtz h VAL 88 CO 0.92 0.21 0.18 0.00 0.02 0.00 0.00 177.57 178.90 1gtz h ALA 89 N 1.63 1.19 -0.08 1.67 0.00 -1.97 -1.05 119.26 120.64 1gtz h ALA 89 Ca 0.09 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1gtz h ALA 89 Cb 0.23 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1gtz h ALA 89 CO 0.00 0.57 -0.83 0.82 0.00 0.00 0.00 179.25 179.81 1gtz h ILE 90 N 0.88 1.33 0.06 0.00 2.04 -1.89 0.34 117.51 120.28 1gtz h ILE 90 Ca 0.20 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1gtz h ILE 90 Cb 0.27 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1gtz h ILE 90 CO -0.01 0.66 -0.05 0.25 0.00 0.00 0.00 178.15 179.00 1gtz h LEU 91 N 0.39 -0.13 -0.71 1.44 5.85 -1.14 -1.84 115.31 119.17 1gtz h LEU 91 Ca -0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1gtz h LEU 91 Cb 1.44 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 1gtz h LEU 91 CO 0.16 -0.08 0.25 0.44 -0.34 0.00 0.00 178.44 178.87 1gtz h ASP 92 N -0.12 1.01 -0.51 1.25 3.32 -1.07 -0.13 116.42 120.17 1gtz h ASP 92 Ca -0.00 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1gtz h ASP 92 Cb 0.11 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1gtz h ASP 92 CO -0.01 0.93 0.34 0.00 -1.72 0.00 0.00 179.24 178.78 1gtz h ALA 93 N 1.12 0.65 -0.27 3.45 0.00 -0.51 -2.58 119.26 121.13 1gtz h ALA 93 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1gtz h ALA 93 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1gtz h ALA 93 CO -0.01 0.09 -0.00 -0.07 0.00 0.00 0.00 179.25 179.26 1gtz h LEU 94 N 0.70 0.37 -2.07 0.00 3.38 -0.94 -2.09 115.31 114.66 1gtz h LEU 94 Ca 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1gtz h LEU 94 Cb -0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1gtz h LEU 94 CO -0.04 0.44 -0.08 0.78 0.09 0.00 0.00 178.44 179.62 1gtz h ASN 95 N 0.39 0.00 0.93 -0.43 -0.26 -0.65 -2.48 115.58 113.08 1gtz h ASN 95 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1gtz h ASN 95 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1gtz h ASN 95 CO 0.01 0.08 0.00 0.71 -1.06 0.00 0.00 177.43 177.17 1gtz h THR 96 N 0.00 0.00 -2.27 2.81 1.35 -1.02 -3.40 112.91 110.37 1gtz h THR 96 Ca -0.00 -0.46 -0.76 0.00 -0.55 0.00 0.00 66.41 64.63 1gtz h THR 96 Cb 0.22 1.45 -0.20 0.00 -1.73 0.00 0.00 68.15 67.89 1gtz h THR 96 CO 0.01 0.00 1.33 0.00 -0.25 0.00 0.00 175.52 176.61 1gtz n ASP 98 N 4.16 2.50 0.00 0.00 2.03 -1.26 -2.28 116.55 121.70 1gtz n ASP 98 Ca 0.34 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1gtz n ASP 98 Cb 0.39 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1gtz n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gtz n GLY 99 N 6.15 0.95 3.69 0.27 0.00 -1.26 -5.00 105.19 109.99 1gtz n GLY 99 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1gtz n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gtz s LEU 100 N 0.00 4.33 0.22 0.99 2.96 -0.96 -4.97 118.68 121.24 1gtz s LEU 100 Ca 0.00 2.16 -0.32 0.00 -0.22 0.00 0.00 54.13 55.75 1gtz s LEU 100 Cb 0.00 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.99 1gtz s LEU 100 CO 0.00 -0.70 1.51 -2.65 -1.32 0.00 0.00 176.35 173.18 1gtz n PRO 101 N 5.07 2.21 -4.20 0.98 -0.02 -1.26 -4.92 135.00 132.87 1gtz n PRO 101 Ca 0.13 0.79 -0.18 0.00 -2.02 0.00 0.00 63.50 62.22 1gtz n PRO 101 Cb 0.43 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.25 1gtz n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gtz s VAL 102 N 0.32 0.51 -0.05 -1.45 1.01 -1.26 -1.25 120.40 118.23 1gtz s VAL 102 Ca 0.71 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1gtz s VAL 102 Cb -0.63 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1gtz s VAL 102 CO 0.45 0.17 -0.07 -0.69 0.00 0.00 0.00 175.10 174.96 1gtz s VAL 103 N 0.21 0.72 -0.12 2.92 1.01 -0.03 -1.16 120.40 123.94 1gtz s VAL 103 Ca -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1gtz s VAL 103 Cb -0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1gtz s VAL 103 CO -0.00 0.27 0.09 -0.70 0.00 0.00 0.00 175.10 174.76 1gtz s GLU 104 N 0.93 3.38 -0.05 2.72 2.12 -0.54 -1.27 118.70 125.98 1gtz s GLU 104 Ca -0.11 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.02 1gtz s GLU 104 Cb -0.15 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.17 1gtz s GLU 104 CO 0.00 0.70 -0.13 0.08 -0.54 0.00 0.00 175.26 175.37 1gtz s VAL 105 N -0.81 1.15 -0.11 3.70 1.01 -0.16 -1.52 120.40 123.65 1gtz s VAL 105 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1gtz s VAL 105 Cb -0.12 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1gtz s VAL 105 CO 0.03 0.35 -0.16 -1.00 0.00 0.00 0.00 175.10 174.32 1gtz s HIS 106 N 0.45 2.03 0.11 5.22 3.76 -0.17 -3.99 115.29 122.70 1gtz s HIS 106 Ca -0.11 -0.95 -0.25 0.00 -0.15 0.00 0.00 55.06 53.61 1gtz s HIS 106 Cb -0.14 -1.45 -0.09 0.00 1.11 0.00 0.00 32.58 32.02 1gtz s HIS 106 CO 0.03 -0.48 1.67 0.82 -0.85 0.00 0.00 174.74 175.93 1gtz h ILE 107 N 5.94 0.59 -3.79 0.60 2.04 -1.86 -2.29 117.51 118.74 1gtz h ILE 107 Ca -0.31 0.00 -0.50 0.00 1.00 0.00 0.00 64.86 65.06 1gtz h ILE 107 Cb 1.18 0.59 0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1gtz h ILE 107 CO 0.49 0.00 0.19 -0.94 0.00 0.00 0.00 178.15 177.89 1gtz s SER 108 N -4.93 6.33 -0.78 1.72 1.04 -1.26 -2.20 113.70 113.62 1gtz s SER 108 Ca -0.15 1.10 -0.20 0.00 0.48 0.00 0.00 55.95 57.19 1gtz s SER 108 Cb 0.08 -2.32 0.11 0.00 0.10 0.00 0.00 66.02 63.99 1gtz s SER 108 CO 0.66 -0.60 1.00 0.21 0.98 0.00 0.00 173.24 175.49 1gtz s ASN 109 N -3.85 6.41 0.54 7.02 3.84 -1.26 -1.46 114.94 126.17 1gtz s ASN 109 Ca 0.50 -1.62 0.25 0.00 0.21 0.00 0.00 52.86 52.20 1gtz s ASN 109 Cb -0.10 -2.39 1.42 0.00 -0.55 0.00 0.00 41.25 39.63 1gtz s ASN 109 CO 0.43 -1.18 2.03 0.16 -2.79 0.00 0.00 177.10 175.74 1gtz h ILE 110 N 5.86 0.71 0.00 -5.21 3.07 -1.93 -1.76 117.51 118.26 1gtz h ILE 110 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1gtz h ILE 110 Cb 1.05 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 1gtz h ILE 110 CO 1.12 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.63 1gtz n HIS 111 N -4.28 0.18 1.08 0.16 8.25 -1.26 -1.09 115.22 118.26 1gtz n HIS 111 Ca 0.07 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.71 1gtz n HIS 111 Cb 0.50 -0.61 0.11 0.00 1.12 0.00 0.00 29.99 31.12 1gtz n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1gtz n GLN 112 N -1.66 1.08 -0.06 -0.41 6.02 -0.66 -4.99 117.38 116.69 1gtz n GLN 112 Ca 0.04 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 1gtz n GLN 112 Cb 0.23 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1gtz n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1gtz n ARG 113 N -0.24 2.97 -1.49 -1.09 1.74 -0.25 -5.05 116.66 113.26 1gtz n ARG 113 Ca 0.10 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.81 1gtz n ARG 113 Cb 0.43 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.93 1gtz n ARG 113 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gtz n GLU 114 N -0.05 0.65 0.26 5.56 4.71 -1.26 -4.88 120.64 125.62 1gtz n GLU 114 Ca 0.00 0.26 0.09 0.00 -0.01 0.00 0.00 57.16 57.51 1gtz n GLU 114 Cb 0.00 -2.06 0.67 0.00 -1.01 0.00 0.00 31.44 29.04 1gtz n GLU 114 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1gtz h PRO 115 N 0.13 0.00 0.00 3.49 0.11 -1.97 0.26 132.00 134.03 1gtz h PRO 115 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1gtz h PRO 115 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1gtz h PRO 115 CO 0.48 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.58 1gtz h PHE 116 N 0.00 0.00 -0.01 0.65 -5.15 -1.98 -2.06 116.94 108.39 1gtz h PHE 116 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1gtz h PHE 116 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.25 1gtz h PHE 116 CO 0.00 0.00 -0.19 0.54 -2.00 0.00 0.00 178.31 176.66 1gtz n ARG 117 N -2.61 1.21 0.16 6.09 1.74 0.92 -4.39 116.66 119.78 1gtz n ARG 117 Ca -0.00 -0.78 0.01 0.00 -0.77 0.00 0.00 57.85 56.32 1gtz n ARG 117 Cb 0.18 -1.48 0.24 0.00 -1.02 0.00 0.00 32.46 30.38 1gtz n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gtz h HIS 118 N 1.90 0.00 -3.28 -1.55 3.86 -1.42 -3.44 115.15 111.22 1gtz h HIS 118 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1gtz h HIS 118 Cb 0.56 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.87 1gtz h HIS 118 CO 0.00 0.51 -0.61 -1.58 0.86 0.00 0.00 177.93 177.11 1gtz s HIS 119 N -3.66 3.17 -0.09 2.45 5.65 -1.26 -4.91 115.29 116.62 1gtz s HIS 119 Ca -0.01 0.09 0.03 0.00 0.25 0.00 0.00 55.06 55.42 1gtz s HIS 119 Cb 0.12 -1.88 0.01 0.00 -1.18 0.00 0.00 32.58 29.65 1gtz s HIS 119 CO 0.73 0.33 -0.17 0.45 -0.65 0.00 0.00 174.74 175.43 1gtz s SER 120 N -0.42 2.45 0.26 9.88 0.15 -1.26 -4.23 113.70 120.53 1gtz s SER 120 Ca 0.08 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.40 1gtz s SER 120 Cb -0.12 -1.12 0.31 0.00 -1.71 0.00 0.00 66.02 63.38 1gtz s SER 120 CO 0.02 0.07 1.58 1.88 1.20 0.00 0.00 173.24 177.99 1gtz h TYR 121 N 7.04 0.00 -0.13 3.44 -1.99 -1.36 -2.96 116.97 121.00 1gtz h TYR 121 Ca -0.27 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.37 1gtz h TYR 121 Cb 1.20 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.92 1gtz h TYR 121 CO 0.48 0.65 -0.32 0.28 -0.00 0.00 0.00 178.16 179.25 1gtz h VAL 122 N 0.00 1.27 0.00 -2.88 2.07 -1.87 -2.90 116.25 111.94 1gtz h VAL 122 Ca -0.01 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1gtz h VAL 122 Cb 1.15 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1gtz h VAL 122 CO 0.08 0.39 -0.01 0.77 0.02 0.00 0.00 177.57 178.83 1gtz h SER 123 N 0.23 0.00 1.20 0.57 4.64 -1.88 -0.88 113.55 117.43 1gtz h SER 123 Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1gtz h SER 123 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1gtz h SER 123 CO 0.05 0.01 -0.12 0.06 -0.87 0.00 0.00 176.83 175.96 1gtz h GLN 124 N 0.00 0.00 0.00 4.77 3.07 -1.67 -3.31 115.11 117.97 1gtz h GLN 124 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 1gtz h GLN 124 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.63 1gtz h GLN 124 CO 0.00 0.12 -1.92 -2.13 0.09 0.00 0.00 178.83 174.99 1gtz n ARG 125 N -3.21 0.63 -1.63 0.06 3.00 -0.68 -5.00 116.66 109.82 1gtz n ARG 125 Ca 0.01 0.08 -0.44 0.00 -0.00 0.00 0.00 57.85 57.50 1gtz n ARG 125 Cb 0.42 -1.32 -0.01 0.00 0.00 0.00 0.00 32.46 31.55 1gtz n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gtz n ALA 126 N -2.90 0.37 -0.14 5.13 0.00 -0.42 -4.88 120.51 117.67 1gtz n ALA 126 Ca -0.28 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 1gtz n ALA 126 Cb 0.82 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 1gtz n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gtz h ASP 127 N 2.19 0.86 -4.90 0.00 3.32 -1.48 -3.46 116.42 112.95 1gtz h ASP 127 Ca -0.42 -0.39 -0.20 0.00 0.02 0.00 0.00 57.03 56.03 1gtz h ASP 127 Cb 1.32 -0.24 -0.20 0.00 0.22 0.00 0.00 39.33 40.43 1gtz h ASP 127 CO 0.61 1.06 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.66 1gtz s GLY 128 N -3.60 0.42 -0.05 2.75 0.00 -1.22 -5.06 107.32 100.56 1gtz s GLY 128 Ca -0.12 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 1gtz s GLY 128 CO 0.84 -0.88 0.01 0.14 0.00 0.00 0.00 173.10 173.20 1gtz s VAL 129 N -1.99 0.25 -0.15 1.40 1.01 -1.26 -1.47 120.40 118.20 1gtz s VAL 129 Ca -0.08 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1gtz s VAL 129 Cb -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1gtz s VAL 129 CO -0.02 0.21 -0.18 -0.69 0.00 0.00 0.00 175.10 174.41 1gtz s VAL 130 N 1.58 2.41 0.03 2.92 1.01 -0.58 -4.98 120.40 122.79 1gtz s VAL 130 Ca -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1gtz s VAL 130 Cb -0.13 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1gtz s VAL 130 CO -0.03 0.53 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 1gtz s ALA 131 N 0.79 0.86 -0.26 5.51 0.00 -1.26 -1.00 121.76 126.40 1gtz s ALA 131 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1gtz s ALA 131 Cb -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1gtz s ALA 131 CO -0.00 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1gtz n GLY 132 N 1.98 0.47 1.34 0.00 0.00 -0.54 -4.77 105.19 103.67 1gtz n GLY 132 Ca -0.18 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1gtz n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gtz n GLY 134 N 0.66 0.96 0.28 0.00 0.00 -0.93 -2.70 105.19 103.45 1gtz n GLY 134 Ca 0.19 -0.67 0.16 0.00 0.00 0.00 0.00 46.02 45.70 1gtz n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gtz h VAL 135 N 0.00 0.22 -0.50 1.61 -1.51 -1.89 -1.59 116.25 112.60 1gtz h VAL 135 Ca 0.00 -0.51 0.14 0.00 -1.23 0.00 0.00 66.70 65.10 1gtz h VAL 135 Cb 0.00 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 1gtz h VAL 135 CO 0.00 0.06 0.42 -0.61 -1.23 0.00 0.00 177.57 176.22 1gtz h GLN 136 N 0.00 0.00 -0.86 5.19 4.15 -1.97 -1.82 115.11 119.80 1gtz h GLN 136 Ca -0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 1gtz h GLN 136 Cb 0.41 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 1gtz h GLN 136 CO 0.01 0.00 0.56 0.78 -1.93 0.00 0.00 178.83 178.25 1gtz h GLY 137 N 0.00 1.20 0.81 2.39 0.00 -1.07 -1.31 103.07 105.09 1gtz h GLY 137 Ca 0.24 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1gtz h GLY 137 CO -0.00 0.18 0.54 -0.97 0.00 0.00 0.00 176.54 176.29 1gtz h TYR 138 N 0.81 1.00 -0.56 5.60 -1.99 -1.54 -0.55 116.97 119.75 1gtz h TYR 138 Ca 0.40 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 61.07 1gtz h TYR 138 Cb 0.46 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 1gtz h TYR 138 CO -0.00 0.55 0.01 0.28 -0.00 0.00 0.00 178.16 179.00 1gtz h VAL 139 N 1.02 1.26 -0.62 -2.88 2.07 -1.36 -0.75 116.25 114.98 1gtz h VAL 139 Ca 0.35 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1gtz h VAL 139 Cb 0.08 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1gtz h VAL 139 CO -0.14 0.39 0.27 -0.26 0.02 0.00 0.00 177.57 177.85 1gtz h PHE 140 N 0.88 0.92 -0.05 1.57 0.05 -1.14 -0.90 116.94 118.27 1gtz h PHE 140 Ca 0.16 -0.06 0.03 0.00 3.82 0.00 0.00 57.97 61.92 1gtz h PHE 140 Cb 0.50 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 38.14 1gtz h PHE 140 CO 0.03 0.72 -0.13 0.78 -0.18 0.00 0.00 178.31 179.54 1gtz h GLY 141 N 0.86 -0.11 0.76 -1.45 0.00 -0.72 -1.02 103.07 101.38 1gtz h GLY 141 Ca 0.21 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.70 1gtz h GLY 141 CO -0.02 -0.13 -0.15 -2.08 0.00 0.00 0.00 176.54 174.16 1gtz h VAL 142 N -0.19 0.66 -0.95 4.60 2.07 -0.87 -2.11 116.25 119.47 1gtz h VAL 142 Ca 0.06 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.73 1gtz h VAL 142 Cb 0.27 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 1gtz h VAL 142 CO -0.16 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 177.66 1gtz h GLU 143 N -0.30 0.77 -0.40 1.57 5.08 -0.93 -1.12 114.58 119.25 1gtz h GLU 143 Ca 0.02 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1gtz h GLU 143 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1gtz h GLU 143 CO -0.07 0.51 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.23 1gtz h ARG 144 N 0.79 0.79 -0.40 2.33 9.65 -0.84 -1.88 114.38 124.82 1gtz h ARG 144 Ca 0.51 -0.32 0.02 0.00 -1.10 0.00 0.00 59.98 59.09 1gtz h ARG 144 Cb 0.67 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.19 1gtz h ARG 144 CO -0.33 0.93 0.23 0.82 2.80 0.00 0.00 179.97 184.42 1gtz h ILE 145 N 0.61 1.03 -0.85 1.20 1.08 -1.08 -1.01 117.51 118.49 1gtz h ILE 145 Ca 0.10 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1gtz h ILE 145 Cb 0.66 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 1gtz h ILE 145 CO 0.04 0.09 0.48 0.00 -0.69 0.00 0.00 178.15 178.07 1gtz h ALA 146 N 1.18 1.25 -0.06 1.87 0.00 -1.10 0.32 119.26 122.73 1gtz h ALA 146 Ca 0.16 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1gtz h ALA 146 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1gtz h ALA 146 CO -0.08 0.62 -0.64 0.00 0.00 0.00 0.00 179.25 179.15 1gtz h ALA 147 N 1.35 0.81 0.04 0.00 0.00 -0.82 -2.24 119.26 118.40 1gtz h ALA 147 Ca 0.30 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 1gtz h ALA 147 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1gtz h ALA 147 CO -0.05 0.76 -1.03 -0.07 0.00 0.00 0.00 179.25 178.85 1gtz h LEU 148 N 0.16 0.25 -0.24 0.00 3.38 -0.56 -3.20 115.31 115.10 1gtz h LEU 148 Ca -0.01 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.52 1gtz h LEU 148 Cb 1.16 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1gtz h LEU 148 CO 0.10 1.13 -0.89 0.00 0.09 0.00 0.00 178.44 178.86 1gtz h ALA 149 N 0.84 0.53 0.00 1.53 0.00 -0.35 -3.49 119.26 118.32 1gtz h ALA 149 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1gtz h ALA 149 Cb 1.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1gtz h ALA 149 CO 0.16 1.04 0.00 0.41 0.00 0.00 0.00 179.25 180.85